3-bromo-6-(trifluoromethyl)quinolin-2-amine

C10H6BrF3N2 — CID 97181843

IUPAC3-bromo-6-(trifluoromethyl)quinolin-2-amine
SMILESNc1nc2ccc(C(F)(F)F)cc2cc1Br
InChIInChI=1S/C10H6BrF3N2/c11-7-4-5-3-6(10(12,13)14)1-2-8(5)16-9(7)15/h1-4H,(H2,15,16)
InChIKeyYWCXNWNTZLVPEE-UHFFFAOYSA-N
MW291.07 g/mol
LogP3.60
Rot. Bonds

About 3-bromo-6-(trifluoromethyl)quinolin-2-amine

3-bromo-6-(trifluoromethyl)quinolin-2-amine (PubChem CID 97181843) has the molecular formula C10H6BrF3N2 and a molecular weight of 291.07 g/mol. Its IUPAC name is 3-bromo-6-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-bromo-6-(trifluoromethyl)quinolin-2-amine
PubChem CID97181843
Molecular FormulaC10H6BrF3N2
Molecular Weight291.07 g/mol
Exact Mass289.97
IUPAC Name3-bromo-6-(trifluoromethyl)quinolin-2-amine
SMILESNc1nc2ccc(C(F)(F)F)cc2cc1Br
InChIInChI=1S/C10H6BrF3N2/c11-7-4-5-3-6(10(12,13)14)1-2-8(5)16-9(7)15/h1-4H,(H2,15,16)
InChIKeyYWCXNWNTZLVPEE-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of 3-bromo-6-(trifluoromethyl)quinolin-2-amine (CID 97181843) is 3-bromo-6-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for 3-bromo-6-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for 3-bromo-6-(trifluoromethyl)quinolin-2-amine is Nc1nc2ccc(C(F)(F)F)cc2cc1Br.
What is the InChIKey of 3-bromo-6-(trifluoromethyl)quinolin-2-amine?
The InChIKey is YWCXNWNTZLVPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2/c11-7-4-5-3-6(10(12,13)14)1-2-8(5)16-9(7)15/h1-4H,(H2,15,16).
What are the key properties of 3-bromo-6-(trifluoromethyl)quinolin-2-amine?
3-bromo-6-(trifluoromethyl)quinolin-2-amine has a molecular weight of 291.07 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 97181843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).